喹啉 | 91-22-5
中文名称:
喹啉
英文名称:
Quinoline
CAS No.:
91-22-5
分子式:
C9 H7 N
分子量:
129.158581972122
管制类
名称和标识符
MDL
MFCD00006736
InChIKey
SMWDFEZZVXVKRB-UHFFFAOYSA-N
Inchi
1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
SMILES
N1C2C(=CC=CC=2)C=CC=1
BRN
107477
别名信息
- 英文别名 -
Quinoline
1-Azanaphthalene
1-Benzazine
1-benzine
B-500
benzo[b]pyridine
Benzopyridine
chinoleine
chinoline
leucol
leucoline
leukol
CHINOLIN
FEMA 3470
2,3-BENZOPYRIDINE
AKOS 91715
1-Benzaine
Quinolin
2,3-Benzopyridine
B 500
Benzo[b]pyridine
Leucol
Leucoline
Leukol
NSC 3396
SY246330
Quinoline, reagent grade, 98%
EINECS 202-051-6
Quinoline-
MFCD00006736
FT-0602839
J-524185
NCGC00091190-03
QUINOLINE (D7)
UNII-E66400VT9R
1-AZANAPTHALENE
Quinoline, redistilled from glass
QUINOLINE [HSDB]
UN 2656
SCHEMBL8571823
1-Benzine
Quinoline-8-D
Tox21_300068
SY246332
BDBM50047015
BIDD:ER0666
BENZO (B) PYRIDINE
Tox21_201478
1-Benzazene
QUINOLINE [FHFI]
CAS-91-22-5
C06413
D97671
AI3-01241
NCGC00091190-02
Chinolin [Czech]
QUINOLINE [MI]
EC 202-051-6
Quinoline 500 microg/mL in Methanol
DTXSID1021798
NSC-3396
Quinoline, JIS special grade, >=95.0%
F0001-2218
AMY38997
WLN: T66 BNJ
15793-84-7
SY246281
EN300-19120
Q0085
InChI=1/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7
Chinolin
USAF EK-218
15793-83-6
SCHEMBL1193639
Quinoline, reagent grade, 96%
Q0011
STR01546
QUINOLINE
Chinoline
SMR000112309
Quinoline-3-D
hydroquinoline
91-22-5
Chinoleine
Quinoline (8CI,9CI)
HMS2271F08
Quinoline, for synthesis, 96.0%
E66400VT9R
s6369
Quinoline-4-D
MFCD31699986
Z104472852
Quinoline, >=99%
SCHEMBL3311562
15793-86-9
Quinoline > 90% grade
SY246331
CHEMBL14474
Quinoline-5-D
15793-82-5
NCGC00259029-01
MFCD31699984
SCHEMBL483852
NCGC00091190-01
AKOS000119139
NS00010850
AE-641/01960007
CCRIS 547
DTXCID401798
Benzopyridine (VAN)
HSDB 121
Quinoline, analytical standard
UN2656
Q408384
NCIOpen2_007906
NCGC00091190-04
MFCD31699983
SY246333
Quinoline-6-D
QUINOLINE (IARC)
Epitope ID:140096
15793-85-8
Quinoline, SAJ first grade, >=94.0%
FEMA No. 3470
NSC3396
SY246329
MLS002303065
SCHEMBL2774
Quinoline [UN2656] [Poison]
MFCD31699987
Quinoline, >=97%
MFCD31699985
Quinoline [UN2656] [Poison]
NCGC00254119-01
31177-31-8
Quinoline-7-D
Benzo(b)pyridine
15793-87-0
MFCD31699982
CHEBI:17362
QUINOLINE [IARC]
quinoline
Quinoline,98%
物化性质
实验特性
LogP
2.23480
PSA
12.89000
Merck
8068
折射率
n20/D 1.625(lit.)
水溶性
微溶
沸点
113-114 °C/11 mmHg(lit.) 237 °C(lit.)
熔点
−17-−13 °C (lit.)
蒸气压
0.07 mmHg ( 20 °C)
闪点
华氏:213.8 °F 摄氏:101 °C
FEMA
3470
溶解度
6g/l
颜色与性状
无色液体,日久变黄,有特殊气味。[1]
PH值
7.3 (5g/l, H2O, 20℃)
稳定性
Stable. Incompatible with strong acids, strong oxidizing agents. May discolour on exposure to light. Hygroscopic - protect from moisture. Reacts violently and unpredictably with some materials, especially strong oxidizing agents.
溶解性
溶于水,溶于乙醇、乙醚、二硫化碳等多数有机溶剂。[14]
敏感性
Light Sensitive & Hygroscopic
酸度系数(pKa)
4.9(at 20℃)
密度
1.093 g/mL at 25 °C(lit.)
计算特性
精确分子量
129.05800
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
0
同位素质量
129.058
重原子数量
10
复杂度
111
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
0
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
无
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
12.9A^2
安全信息
符号:
GHS06
GHS08
GHS09
RTECS号
VA9275000
WGK Germany
2
安全术语
6.1
安全说明
S26-S36/37/39-S36-S23
包装等级
III
风险术语
R21/22; R37/38; R40; R41; R68
危险品标志
Xn
危险品运输编号
UN 2656 6.1/PG 3
危害声明
H302,H311,H315,H319,H341,H350,H411
警示性声明
P201,P273,P280,P305+P351+P338,P308+P313
提示语
危险
储存条件
库房通风低温干燥,与氧化剂、酸类、食品添加剂分开存放
PackingGroup
III
危险类别码
45-21/22-36/38-51/53-68
信号词
Danger
TSCA
Yes
毒性
LD50 orally in rats: 460 mg/kg (Smyth)
爆炸极限值(explosive limit)
1.2-7%(V)
HazardClass
6.1
FLUKA BRAND F CODES
8
海关数据
海关编码
2933499090
海关数据
中国海关编码:
2933499090
概述:
2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
1.
XXVI.—On chinoline and leucoline
C. Greville Williams J. Chem. Soc. 1872 25 657
2.
Synthesis and applications of sodium sulfinates (RSO2Na): a powerful building block for the synthesis of organosulfur compounds
Raju Jannapu Reddy,Arram Haritha Kumari RSC Adv. 2021 11 9130
3.
Synthesis and electrogenerated chemiluminescence of donor-substituted phenylquinolinylethynes and phenylisoquinolinylethynes: effect of positional isomerism
Arumugasamy Elangovan,Shu-Wen Yang,Jui-Hsien Lin,Kuo-Ming Kao,Tong-Ing Ho Org. Biomol. Chem. 2004 2 1597
4.
Ferrocene-triazole conjugates: do we know why they are biologically active?
Mariola Koszytkowska-Stawińska,W?odzimierz Buchowicz Dalton Trans. 2023 52 1501
5.
The antimicrobial potential and pharmacokinetic profiles of novel quinoline-based scaffolds: synthesis and in silico mechanistic studies as dual DNA gyrase and DHFR inhibitors
Mohamed H. El-Shershaby,Kamal M. El-Gamal,Ashraf H. Bayoumi,Khaled El-Adl,Mohamed Alswah,Hany E. A. Ahmed,Ahmed A. Al-Karmalamy,Hamada S. Abulkhair New J. Chem. 2021 45 13986
6.
Al and Zn complexes bearing N,N,N-tridentate quinolinyl anilido-imine ligands: synthesis, characterization and catalysis in l-lactide polymerization
Nan Yang,Lan Xin,Wei Gao,Jingshun Zhang,Xuyang Luo,Xiaoming Liu,Ying Mu Dalton Trans. 2012 41 11454
7.
Insights into the structural patterns of the antileishmanial activity of bi- and tricyclic N-heterocycles
Lizzi Herrera,David E. Stephens,Abigail D'Avila,Kathryn G. George,Hadi Arman,Yu Zhang,George Perry,Ricardo Lleonart,Oleg V. Larionov,Patricia L. Fernández Org. Biomol. Chem. 2016 14 7053
8.
Ball-milling synthesis of sulfonyl quinolines via coupling of haloquinolines with sulfonic acids
Xiao-Wen Liu,Jia-Qian Wang,Hui Ma,Qi Zhu,Long-Yong Xie Green Chem. 2021 23 7589
9.
8-Quinoline based ligands and their metallic derivatives: A structural and statistical investigation of quinoline π–π stacking interactions
Radu F. Semeniuc,Thomas J. Reamer,Mark D. Smith New J. Chem. 2010 34 439
10.
Advancements in the synthesis of fused tetracyclic quinoline derivatives
Ramadan A. Mekheimer,Mariam A. Al-Sheikh,Hanadi Y. Medrasi,Kamal U. Sadek RSC Adv. 2020 10 19867
参考资料
Reaxys RN
107477
Beilstein
107477
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